6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H28N8O2S — CID 162767297

IUPAC6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES[H]N=S(=O)(CC)c1cc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H28N8O2S/c1-3-38(29,36)23-9-24(27-20(10-28)13-32-35(27)17-23)19-5-6-25(30-12-19)33-15-21-8-22(16-33)34(21)14-18-4-7-26(37-2)31-11-18/h4-7,9,11-13,17,21-22,29H,3,8,14-16H2,1-2H3
InChIKeyICPNYFTVDAMCRC-UHFFFAOYSA-N
MW528.64 g/mol
LogP3.56
Rot. Bonds7

About 6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162767297) has the molecular formula C27H28N8O2S and a molecular weight of 528.64 g/mol. Its IUPAC name is 6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID162767297
Molecular FormulaC27H28N8O2S
Molecular Weight528.64 g/mol
Exact Mass528.21
IUPAC Name6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES[H]N=S(=O)(CC)c1cc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H28N8O2S/c1-3-38(29,36)23-9-24(27-20(10-28)13-32-35(27)17-23)19-5-6-25(30-12-19)33-15-21-8-22(16-33)34(21)14-18-4-7-26(37-2)31-11-18/h4-7,9,11-13,17,21-22,29H,3,8,14-16H2,1-2H3
InChIKeyICPNYFTVDAMCRC-UHFFFAOYSA-N
XLogP3.56
TPSA123.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.64
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162767297) is 6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is [H]N=S(=O)(CC)c1cc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(OC)nc3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ICPNYFTVDAMCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O2S/c1-3-38(29,36)23-9-24(27-20(10-28)13-32-35(27)17-23)19-5-6-25(30-12-19)33-15-21-8-22(16-33)34(21)14-18-4-7-26(37-2)31-11-18/h4-7,9,11-13,17,21-22,29H,3,8,14-16H2,1-2H3.
What are the key properties of 6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 528.64 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylsulfonimidoyl)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162767297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).